Task 38688213

Name test_793-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND9103_0
Workunit 31629574
Created 28 Oct 2026, 12:25:33 UTC
Sent 28 Oct 2026, 12:25:38 UTC
Report deadline 2 Nov 2026, 12:25:38 UTC
Received 28 Oct 2026, 13:28:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636749
Run time 48 min 50 sec
CPU time 44 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 37,942.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.78 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:39:32 (33748): wrapper (7.9.26016): starting
08:39:32 (33748): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
08:39:35 (33748): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:39:35 (33748): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\33\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\33\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
09:27:07 (33748): C:/Windows/system32/cmd.exe exited; CPU time 2673.671875
09:27:07 (33748): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 65260041 bytes.
Dumping objects ->
{3835230} normal block at 0x00000213FC37D1C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000213FA684AA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x00000213FA684A30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x00000213FA6849C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x00000213FA6846B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x00000213FC3CA690, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x00000213FC2F01F0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835141} normal block at 0x00000213FA67FF60, 8 bytes long.
 Data: <  &#166;&#250;    > 00 00 A6 FA 13 02 00 00 
{3834544} normal block at 0x00000213FC2F0810, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000213FA67FE20, 8 bytes long.
 Data: <@?h&#250;    > 40 3F 68 FA 13 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000213FA680F70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000213FA6769A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000213FA685AA0, 16 bytes long.
 Data: <&#200;dh&#250;            > C8 64 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000213FA685870, 16 bytes long.
 Data: <&#160;dh&#250;            > A0 64 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000213FA67EE10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000213FA6854B0, 16 bytes long.
 Data: <xdh&#250;            > 78 64 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000213FA6855F0, 16 bytes long.
 Data: <Pdh&#250;            > 50 64 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000213FA685280, 16 bytes long.
 Data: <(dh&#250;            > 28 64 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000213FA6857D0, 16 bytes long.
 Data: < dh&#250;            > 00 64 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000213FA684800, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000213FA685E60, 16 bytes long.
 Data: < &#181;f&#250;            > 98 B5 66 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000213FA67F0B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000213FA685910, 16 bytes long.
 Data: <p&#181;f&#250;            > 70 B5 66 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000213FA685A50, 16 bytes long.
 Data: <H&#181;f&#250;            > 48 B5 66 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000213FA685230, 16 bytes long.
 Data: < &#181;f&#250;            > 20 B5 66 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000213FA685F50, 16 bytes long.
 Data: <&#248;&#180;f&#250;            > F8 B4 66 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000213FA685500, 16 bytes long.
 Data: <&#208;&#180;f&#250;            > D0 B4 66 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000213FA685D70, 16 bytes long.
 Data: <&#168;&#180;f&#250;            > A8 B4 66 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000213FA67EBD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000213FA685CD0, 16 bytes long.
 Data: < &#180;f&#250;            > 80 B4 66 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000213FA66B480, 320 bytes long.
 Data: <&#208;\h&#250;    &#208;&#235;g&#250;    > D0 5C 68 FA 13 02 00 00 D0 EB 67 FA 13 02 00 00 
{275} normal block at 0x00000213FA6853C0, 16 bytes long.
 Data: <&#224;ch&#250;            > E0 63 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000213FA685640, 16 bytes long.
 Data: <&#184;ch&#250;            > B8 63 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000213FA67E750, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000213FA6855A0, 16 bytes long.
 Data: < ch&#250;            > 90 63 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000213FA67E7B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000213FA685730, 16 bytes long.
 Data: <&#216;bh&#250;            > D8 62 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000213FA6858C0, 16 bytes long.
 Data: <&#176;bh&#250;            > B0 62 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000213FA6851E0, 16 bytes long.
 Data: < bh&#250;            > 88 62 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000213FA685C80, 16 bytes long.
 Data: <`bh&#250;            > 60 62 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000213FA685D20, 16 bytes long.
 Data: <8bh&#250;            > 38 62 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000213FA685EB0, 16 bytes long.
 Data: < bh&#250;            > 10 62 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000213FA685BE0, 16 bytes long.
 Data: <`Lh&#250;            > 60 4C 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000213FA684C60, 40 bytes long.
 Data: <&#224;[h&#250;     &#166;<&#252;    > E0 5B 68 FA 13 02 00 00 90 A6 3C FC 13 02 00 00 
{261} normal block at 0x00000213FA685F00, 16 bytes long.
 Data: <&#240;ah&#250;            > F0 61 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000213FA6856E0, 16 bytes long.
 Data: <&#200;ah&#250;            > C8 61 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000213FA67F470, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000213FA685780, 16 bytes long.
 Data: <&#160;ah&#250;            > A0 61 68 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000213FA6861A0, 992 bytes long.
 Data: < Wh&#250;    p&#244;g&#250;    > 80 57 68 FA 13 02 00 00 70 F4 67 FA 13 02 00 00 
{93} normal block at 0x00000213FA67F2F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000213FA6805F0, 16 bytes long.
 Data: < &#229;g&#250;            > 80 E5 67 FA 13 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000213FA67E580, 40 bytes long.
 Data: <&#240; h&#250;    &#240;&#242;g&#250;    > F0 05 68 FA 13 02 00 00 F0 F2 67 FA 13 02 00 00 
{70} normal block at 0x00000213FA67FA10, 16 bytes long.
 Data: < &#234; 0&#247;           > 80 EA 13 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000213FA67FDD0, 16 bytes long.
 Data: <@&#233; 0&#247;           > 40 E9 13 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000213FA680550, 16 bytes long.
 Data: <&#248;W 0&#247;           > F8 57 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000213FA6801E0, 16 bytes long.
 Data: <&#216;W 0&#247;           > D8 57 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000213FA67FCE0, 16 bytes long.
 Data: <P  0&#247;           > 50 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000213FA67F880, 16 bytes long.
 Data: <0  0&#247;           > 30 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000213FA680050, 16 bytes long.
 Data: <&#224;  0&#247;           > E0 02 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000213FA67FEC0, 16 bytes long.
 Data: <   0&#247;           > 10 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000213FA6800A0, 16 bytes long.
 Data: <p  0&#247;           > 70 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000213FA680230, 16 bytes long.
 Data: < &#192; 0&#247;           > 18 C0 0E 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra